HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=446",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=444",
"results": [
{
"id": "jvasp-79300",
"created_at": "2022-09-04T14:37:02.843586Z",
"updated_at": "2022-09-04T14:37:02.843607Z",
"structure_string": "Li1 Cu1 S2\n1.0\n-2.380881 -3.232623 0.852616\n1.637097 -2.995690 0.040446\n-1.188213 -0.568449 5.843399\nLi Cu S\n1 1 2\ndirect\n0.999406 0.501478 0.000820 Li\n0.999438 0.501375 0.500769 Cu\n0.744701 0.128711 0.763921 S\n0.254149 0.874059 0.237625 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 3.2456107061288395,
"density_atomic": 0.058077433106443865,
"volume": 68.87356734015485,
"volume_molar": 10.369157929143782,
"formula_full": "Li1 Cu1 S2",
"formula_reduced": "LiCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8604401125,
"spacegroup": 12
},
{
"id": "jvasp-101233",
"created_at": "2022-09-04T14:37:03.064899Z",
"updated_at": "2022-09-04T14:37:03.064934Z",
"structure_string": "Ba2 In2 Ga2\n1.0\n4.907658 -0.003450 4.148741\n2.253910 4.359473 4.148741\n0.006800 0.004136 8.365912\nBa In Ga\n2 2 2\ndirect\n0.750032 0.750032 0.695262 Ba\n0.249968 0.249968 0.304738 Ba\n0.575815 0.575815 0.255703 In\n0.424185 0.424185 0.744296 In\n0.063924 0.063924 0.087927 Ga\n0.936076 0.936076 0.912072 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Ga"
],
"chemical_system": "Ba-Ga-In",
"density": 5.975671134199759,
"density_atomic": 0.033541389064513316,
"volume": 178.88346807759316,
"volume_molar": 17.954357073337214,
"formula_full": "Ba2 In2 Ga2",
"formula_reduced": "BaInGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-49764",
"created_at": "2022-09-04T14:37:03.772764Z",
"updated_at": "2022-09-04T14:37:03.772790Z",
"structure_string": "Na1 Ag1 O2\n1.0\n3.207932 1.506379 -0.268421\n-3.207932 1.506379 0.268421\n-2.858567 0.000000 5.683305\nNa Ag O\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Na\n0.000000 0.000000 0.000000 Ag\n0.329009 0.670991 0.755505 O\n0.670991 0.329010 0.244494 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ag",
"O"
],
"chemical_system": "Ag-Na-O",
"density": 5.139703601145728,
"density_atomic": 0.07602267611795481,
"volume": 52.61587994868405,
"volume_molar": 7.921505881555922,
"formula_full": "Na1 Ag1 O2",
"formula_reduced": "NaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7483108150000001,
"spacegroup": 12
},
{
"id": "jvasp-8278",
"created_at": "2022-09-04T14:37:03.339508Z",
"updated_at": "2022-09-04T14:37:03.339533Z",
"structure_string": "Mo2 N4\n1.0\n3.501072 -0.000000 1.407060\n0.665517 4.367640 3.403294\n-0.237454 1.102455 5.650082\nMo N\n2 4\ndirect\n0.380373 0.933374 0.305882 Mo\n0.619628 0.066628 0.694116 Mo\n0.171761 0.055483 0.600997 N\n0.828240 0.944519 0.399001 N\n0.416615 0.336609 0.830161 N\n0.583386 0.663393 0.169836 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 5.434191151703028,
"density_atomic": 0.07920427526056897,
"volume": 75.75348654174275,
"volume_molar": 7.603302650252341,
"formula_full": "Mo2 N4",
"formula_reduced": "MoN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.793724133333333,
"spacegroup": 12
},
{
"id": "jvasp-7722",
"created_at": "2022-09-04T14:37:03.252319Z",
"updated_at": "2022-09-04T14:37:03.252346Z",
"structure_string": "Dy2 Fe2 Si2 C1\n1.0\n3.681250 0.000000 1.352328\n1.490231 5.194727 1.629991\n0.011509 -0.012779 5.655304\nDy Fe Si C\n2 2 2 1\ndirect\n0.059410 0.674702 0.206478 Dy\n0.940590 0.325298 0.793521 Dy\n0.299512 0.806230 0.594746 Fe\n0.700487 0.193770 0.405254 Fe\n0.662963 0.890890 0.783183 Si\n0.337036 0.109111 0.216816 Si\n0.500000 0.500000 0.500000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Dy",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Dy-Fe-Si",
"density": 7.754187812528224,
"density_atomic": 0.06474470118222356,
"volume": 108.11695586173984,
"volume_molar": 9.301364667744348,
"formula_full": "Dy2 Fe2 Si2 C1",
"formula_reduced": "Dy2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.479488742857143,
"spacegroup": 12
},
{
"id": "jvasp-10095",
"created_at": "2022-09-04T14:37:03.768992Z",
"updated_at": "2022-09-04T14:37:03.769010Z",
"structure_string": "Lu2 Si2 O7\n1.0\n4.713281 -0.001575 -0.601092\n-0.899822 5.288717 -1.448088\n-0.008254 0.002137 5.556716\nLu Si O\n2 2 7\ndirect\n0.000001 0.307566 0.692435 Lu\n1.000001 0.692436 0.307566 Lu\n0.411380 0.221705 0.221705 Si\n0.588622 0.778297 0.778297 Si\n0.781282 0.916091 0.609473 O\n0.218719 0.390529 0.083910 O\n0.218719 0.083911 0.390529 O\n0.781282 0.609473 0.916091 O\n0.500000 0.000000 0.000000 O\n0.281834 0.613133 0.613132 O\n0.718167 0.386869 0.386869 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Lu",
"Si",
"O"
],
"chemical_system": "Lu-O-Si",
"density": 6.211967408183416,
"density_atomic": 0.07942523222449155,
"volume": 138.49503101116576,
"volume_molar": 7.582150648270958,
"formula_full": "Lu2 Si2 O7",
"formula_reduced": "Lu2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.523793018181818,
"spacegroup": 12
},
{
"id": "jvasp-11366",
"created_at": "2022-09-04T14:37:03.751567Z",
"updated_at": "2022-09-04T14:37:03.751594Z",
"structure_string": "Rb6 Al2 O6\n1.0\n6.719959 0.025292 -0.891258\n-3.001033 6.012678 -0.891258\n-0.009403 -0.015267 6.786315\nRb Al O\n6 2 6\ndirect\n0.369506 0.369506 0.652924 Rb\n0.630494 0.630494 0.347075 Rb\n0.196375 0.803625 0.499999 Rb\n0.803625 0.196374 0.499999 Rb\n0.269380 0.730620 -0.000000 Rb\n0.730620 0.269380 -0.000000 Rb\n0.842137 0.842136 0.854195 Al\n0.157864 0.157863 0.145804 Al\n0.852058 0.596651 0.738295 O\n0.403349 0.147943 0.261704 O\n0.147943 0.403348 0.261704 O\n0.596652 0.852057 0.738295 O\n0.902726 0.902726 0.135620 O\n0.097275 0.097274 0.864379 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Al",
"O"
],
"chemical_system": "Al-O-Rb",
"density": 4.008799826596408,
"density_atomic": 0.05099562355928202,
"volume": 274.5333623330462,
"volume_molar": 11.809132509183474,
"formula_full": "Rb6 Al2 O6",
"formula_reduced": "Rb3AlO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6880761857142857,
"spacegroup": 12
},
{
"id": "jvasp-14408",
"created_at": "2022-09-04T14:37:03.945488Z",
"updated_at": "2022-09-04T14:37:03.945505Z",
"structure_string": "Ni1 C2 S2 N2\n1.0\n3.645291 0.000000 0.000000\n-1.822645 5.028556 -1.317319\n0.000000 0.191164 5.967394\nNi C S N\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.241690 0.483380 0.785040 C\n0.758309 0.516621 0.214959 C\n0.610446 0.220894 0.269095 S\n0.389552 0.779106 0.730904 S\n0.138208 0.276417 0.833878 N\n0.861790 0.723583 0.166121 N\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ni",
"C",
"S",
"N"
],
"chemical_system": "C-N-Ni-S",
"density": 2.6323611456662563,
"density_atomic": 0.06346121914262375,
"volume": 110.30358531669695,
"volume_molar": 9.489481672997401,
"formula_full": "Ni1 C2 S2 N2",
"formula_reduced": "NiC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.459761271428572,
"spacegroup": 12
},
{
"id": "jvasp-52241",
"created_at": "2022-09-04T14:37:03.848658Z",
"updated_at": "2022-09-04T14:37:03.848680Z",
"structure_string": "Li3 Ti4 O8\n1.0\n-1.654697 5.536319 0.000000\n-4.974166 -1.486681 2.475312\n-1.588607 2.540634 5.019694\nLi Ti O\n3 4 8\ndirect\n0.500001 0.500001 0.499999 Li\n0.000000 0.500001 0.499999 Li\n0.000000 0.500000 -0.000000 Li\n0.500001 0.500001 -0.000000 Ti\n0.500000 0.000001 0.499999 Ti\n0.000000 0.000000 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.758223 0.749039 0.992954 O\n0.248821 0.749039 0.992954 O\n0.750165 0.742973 0.499671 O\n0.243139 0.767966 0.513723 O\n0.756862 0.232036 0.486275 O\n0.249837 0.257030 0.500327 O\n0.751180 0.250963 0.007043 O\n0.241778 0.250963 0.007043 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 4.058763480526378,
"density_atomic": 0.10774362139747726,
"volume": 139.21937842300161,
"volume_molar": 5.589324622553484,
"formula_full": "Li3 Ti4 O8",
"formula_reduced": "Li3Ti4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.843843422222222,
"spacegroup": 12
},
{
"id": "jvasp-102300",
"created_at": "2022-09-04T14:37:03.924383Z",
"updated_at": "2022-09-04T14:37:03.924420Z",
"structure_string": "Tb4 Co2 Ge4\n1.0\n5.072361 0.006102 2.461757\n3.342267 3.815512 2.461757\n-0.091766 -0.041677 10.231212\nTb Co Ge\n4 2 4\ndirect\n0.810811 0.810809 0.116016 Tb\n0.189190 0.189189 0.883985 Tb\n0.994508 0.994505 0.333107 Tb\n0.005493 0.005493 0.666894 Tb\n0.274787 0.274786 0.342776 Co\n0.725214 0.725212 0.657224 Co\n0.515022 0.515020 0.121987 Ge\n0.484979 0.484978 0.878014 Ge\n0.659562 0.659561 0.439250 Ge\n0.340438 0.340437 0.560750 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Tb",
"density": 8.719615938155558,
"density_atomic": 0.050291501743152354,
"volume": 198.84075148663842,
"volume_molar": 11.97446994276716,
"formula_full": "Tb4 Co2 Ge4",
"formula_reduced": "Tb2CoGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.49457792,
"spacegroup": 12
},
{
"id": "jvasp-101377",
"created_at": "2022-09-04T14:37:04.380828Z",
"updated_at": "2022-09-04T14:37:04.380854Z",
"structure_string": "Mg2 Si4\n1.0\n4.267557 0.091143 1.844827\n1.776016 4.769269 1.515712\n0.221155 -0.261595 5.366236\nMg Si\n2 4\ndirect\n0.269684 0.158340 0.302171 Mg\n0.730319 0.841661 0.697829 Mg\n0.948522 0.234730 0.868097 Si\n0.590426 0.568376 0.250831 Si\n0.051480 0.765271 0.131903 Si\n0.409576 0.431625 0.749169 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4915183715693705,
"density_atomic": 0.05593322609809839,
"volume": 107.27076584992452,
"volume_molar": 10.766660856354108,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8181353238095237,
"spacegroup": 12
},
{
"id": "jvasp-102599",
"created_at": "2022-09-04T14:37:08.135623Z",
"updated_at": "2022-09-04T14:37:08.135637Z",
"structure_string": "Sc4 Co2 Ge4\n1.0\n4.832193 -0.003537 2.367335\n3.166885 3.649787 2.367335\n-0.045816 -0.020885 9.606326\nSc Co Ge\n4 2 4\ndirect\n0.994530 0.994531 0.332724 Sc\n0.005469 0.005471 0.667278 Sc\n0.819579 0.819579 0.107685 Sc\n0.180420 0.180422 0.892316 Sc\n0.720134 0.720136 0.635684 Co\n0.279864 0.279865 0.364318 Co\n0.648492 0.648493 0.426538 Ge\n0.351506 0.351508 0.573463 Ge\n0.523355 0.523355 0.124376 Ge\n0.476644 0.476646 0.875625 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Sc",
"density": 5.745686414646019,
"density_atomic": 0.05882079069882786,
"volume": 170.00791524890658,
"volume_molar": 10.23811595943066,
"formula_full": "Sc4 Co2 Ge4",
"formula_reduced": "Sc2CoGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.99197266,
"spacegroup": 12
}
]
}